Compounds

ALA4294999

Name:
(E)-2-(5-(cyclopropylmethyl)-4-(3-fluoro-4-sulfamo
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Mol. Formula:
C31H27FN4O4S3

M.W.:
634.78

11 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.56

Polar Surface Area:
128.17

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4292585

Name:
2-(5-(cyclopropylmethyl)-3-(4-fluoro-3-(6-methylcy
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Mol. Formula:
C31H30F2N4O4S2

M.W.:
624.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
128.17

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4287763

Name:
2-(5-(cyclopropylmethyl)-3-(3',6-difluoro-4'-methy
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Mol. Formula:
C31H25F3N4O4S2

M.W.:
638.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.28

Polar Surface Area:
128.17

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4284694

Name:
2-(5-(cyclopropylmethyl)-3-(4-fluoro-3-(4-methylcy
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Mol. Formula:
C31H30F2N4O4S2

M.W.:
624.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
128.17

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4284356

Name:
2-(5-(cyclopropylmethyl)-3-(3-(4,4-difluorocyclohe
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Mol. Formula:
C30H26F4N4O4S2

M.W.:
646.69

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.37

Polar Surface Area:
128.17

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4279844

Name:
2-(3-(3-acetyl-4-fluorophenyl)-5-(cyclopropylmethy
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Mol. Formula:
C26H22F2N4O5S2

M.W.:
572.62

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
145.24

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2382403

Name:
rac-2-(4-(4-chloro-3-fluorophenyl)-5-cyano-6-oxo-1
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Mol. Formula:
C20H15ClFN5O4S2

M.W.:
507.96

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.87

Polar Surface Area:
158.80

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2382402

Name:
rac-2-(5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-di
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Mol. Formula:
C20H15Cl2N5O4S2

M.W.:
524.41

10 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
158.80

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA2382401

Name:
rac-2-(4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydr
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Mol. Formula:
C20H16ClN5O4S2

M.W.:
489.97

11 activity values

9 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
158.80

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS